Ozge Engin wrote:
Hi all,
I am trying to translate the peptide within the simulation box. I have a
box with dimensions of 3.8 3.0 3.0 nm^3, and I want to put the peptide
on top of the box. In order to that I used the following command line:
editconf -f pep.pdb -box 3.8 3.0 3.0 -translate 0 0 1.5 -o trans.pdb
The peptide is not translated, but sitting at the center of the box. Why
is the case? Any suggestions?
The use of -box implies -c, so either use -noc or set the center explicitly with
-center instead of -translate.
-Justin
Thanks in advance
--
Ozge Engin
★☆
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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